4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]butyramide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS/c1-16(17-9-11-18(12-10-17)26-14-13-23-15-26)24-21(27)7-4-8-22-25-19-5-2-3-6-20(19)28-22/h2-3,5-6,9-16H,4,7-8H2,1H3,(H,24,27)/t16-/m0/s1